N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide

C18H25N3O4 — CID 16717735

IUPACN-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide
SMILESCc1ccc(CCC2NC(=O)N(C(C(=O)NO)C(C)(C)C)C2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-11-5-7-12(8-6-11)9-10-13-16(23)21(17(24)19-13)14(15(22)20-25)18(2,3)4/h5-8,13-14,25H,9-10H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyNTVKTPWDUFDJJJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.77
Rot. Bonds5

About N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide

N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide (PubChem CID 16717735) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide
PubChem CID16717735
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide
SMILESCc1ccc(CCC2NC(=O)N(C(C(=O)NO)C(C)(C)C)C2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-11-5-7-12(8-6-11)9-10-13-16(23)21(17(24)19-13)14(15(22)20-25)18(2,3)4/h5-8,13-14,25H,9-10H2,1-4H3,(H,19,24)(H,20,22)
InChIKeyNTVKTPWDUFDJJJ-UHFFFAOYSA-N
XLogP1.77
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
CID 16718430
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxy-3-methylpentanamide
CID 16718474
(5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 58057241
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxypropanamide
CID 87094358
3-[(4R)-1-[(1S)-2-methyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 143823559
N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide
CID 18729401
2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
CID 76578003
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
N-(2-tert-butylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703909
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
2-bromo-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 107903147
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide?
The IUPAC name of N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide (CID 16717735) is N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide.
What is the SMILES notation for N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide?
The canonical SMILES for N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide is Cc1ccc(CCC2NC(=O)N(C(C(=O)NO)C(C)(C)C)C2=O)cc1.
What is the InChIKey of N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide?
The InChIKey is NTVKTPWDUFDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11-5-7-12(8-6-11)9-10-13-16(23)21(17(24)19-13)14(15(22)20-25)18(2,3)4/h5-8,13-14,25H,9-10H2,1-4H3,(H,19,24)(H,20,22).
What are the key properties of N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide?
N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide has a molecular weight of 347.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3,3-dimethyl-2-[4-[2-(4-methylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]butanamide is sourced from PubChem (CID 16717735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).